| SpectraBase Spectrum ID |
9YBjLnT6u2B |
| Name |
L-Norvalyl-L-norvaline, N-neopentyloxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.309372455 u |
| Formula |
C22H42N2O5 |
| InChI |
InChI=1S/C22H42N2O5/c1-8-11-17(24-21(27)29-15-22(5,6)7)19(25)23-18(12-9-2)20(26)28-14-10-13-16(3)4/h16-18H,8-15H2,1-7H3,(H,23,25)(H,24,27) |
| InChIKey |
LMGCYYROKAGFQB-UHFFFAOYSA-N |
| Molecular Weight |
414.587 g/mol |
| SMILES |
CC(COC(NC(C(NC(C(OCCCC(C)C)=O)CCC)=O)CCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818965 |
